3-(1-benzylpiperidin-4-yl)-1,1-bis(prop-2-enyl)urea

C19H27N3O — CID 127574650

IUPAC3-(1-benzylpiperidin-4-yl)-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H27N3O/c1-3-12-22(13-4-2)19(23)20-18-10-14-21(15-11-18)16-17-8-6-5-7-9-17/h3-9,18H,1-2,10-16H2,(H,20,23)
InChIKeyUZKNRUHYZLVBAD-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.03
Rot. Bonds7

About 3-(1-benzylpiperidin-4-yl)-1,1-bis(prop-2-enyl)urea

3-(1-benzylpiperidin-4-yl)-1,1-bis(prop-2-enyl)urea (PubChem CID 127574650) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-1,1-bis(prop-2-enyl)urea.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-1,1-bis(prop-2-enyl)urea
PubChem CID127574650
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name3-(1-benzylpiperidin-4-yl)-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H27N3O/c1-3-12-22(13-4-2)19(23)20-18-10-14-21(15-11-18)16-17-8-6-5-7-9-17/h3-9,18H,1-2,10-16H2,(H,20,23)
InChIKeyUZKNRUHYZLVBAD-UHFFFAOYSA-N
XLogP3.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(1-benzylpiperidin-4-yl)-1,1-bis(prop-2-enyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-benzylpiperidin-4-yl)-1-[[4-(dimethylamino)phenyl]methyl]-1-methylurea
CID 55457360
N-(1-benzylpiperidin-4-yl)-4-but-3-enylpiperidine-1-carboxamide
CID 143091402
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
[(1-benzylpiperidin-4-yl)amino]carbamic acid
CID 68925695
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
(1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 2712549
N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
CID 22689014
N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 24654457
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-4-yl)-1,1-bis(prop-2-enyl)urea?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-1,1-bis(prop-2-enyl)urea (CID 127574650) is 3-(1-benzylpiperidin-4-yl)-1,1-bis(prop-2-enyl)urea.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-1,1-bis(prop-2-enyl)urea?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-1,1-bis(prop-2-enyl)urea is C=CCN(CC=C)C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-1,1-bis(prop-2-enyl)urea?
The InChIKey is UZKNRUHYZLVBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-3-12-22(13-4-2)19(23)20-18-10-14-21(15-11-18)16-17-8-6-5-7-9-17/h3-9,18H,1-2,10-16H2,(H,20,23).
What are the key properties of 3-(1-benzylpiperidin-4-yl)-1,1-bis(prop-2-enyl)urea?
3-(1-benzylpiperidin-4-yl)-1,1-bis(prop-2-enyl)urea has a molecular weight of 313.45 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)-1,1-bis(prop-2-enyl)urea is sourced from PubChem (CID 127574650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).